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BDBM355951 (S)-1-(2-chloro-7-(1- methoxy-2- methylpropyl)pyra- zolo[1,5-a]pyrimidin- 6-yl)-3-(2- (trifluoromethyl)pyri- din-4-yl)urea::US10442808, Example 75::US9815842, Example 75

SMILES: CO[C@@H](C(C)C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12

InChI Key: InChIKey=RCOAOGBCUNIRLJ-INIZCTEOSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 355951   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Mucosa-associated lymphoid tissue lymphoma translocation protein 1 (MALT1)(aa 329-824)


(Homo sapiens (Human))
BDBM355951
PNG
((S)-1-(2-chloro-7-(1- methoxy-2- methylpropyl)pyra...)
Show SMILES CO[C@@H](C(C)C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H18ClF3N6O2/c1-9(2)16(30-3)15-11(8-24-14-7-13(19)27-28(14)15)26-17(29)25-10-4-5-23-12(6-10)18(20,21)22/h4-9,16H,1-3H3,(H2,23,25,26,29)/t16-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00500n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
The assay employs a short peptide substrate labeled with the single fluorophore PT14 as a fluorescence lifetime probe sensitive to the cleavage state...


US Patent US10442808 (2019)


BindingDB Entry DOI: 10.7270/Q2S75JQ3
More data for this
Ligand-Target Pair
MALT lymphoma-associated translocation (MALT1)


(Homo sapiens (Human))
BDBM355951
PNG
((S)-1-(2-chloro-7-(1- methoxy-2- methylpropyl)pyra...)
Show SMILES CO[C@@H](C(C)C)c1c(NC(=O)Nc2ccnc(c2)C(F)(F)F)cnc2cc(Cl)nn12 |r|
Show InChI InChI=1S/C18H18ClF3N6O2/c1-9(2)16(30-3)15-11(8-24-14-7-13(19)27-28(14)15)26-17(29)25-10-4-5-23-12(6-10)18(20,21)22/h4-9,16H,1-3H3,(H2,23,25,26,29)/t16-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 0.00500n/an/an/an/an/an/a



Novartis AG

US Patent


Assay Description
IC50 values of test compounds were determined with an enzyme activity assay using the C-domain of MALT1 (amino acids 329-824). The readout parameter ...


US Patent US9815842 (2017)


BindingDB Entry DOI: 10.7270/Q24F1T0N
More data for this
Ligand-Target Pair